1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine

C38H30F6N12 — CID 158386361

IUPAC1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCc1ccc(F)c(-c2cc(Nc3ccnc4cn(CC(F)F)nc34)ccn2)n1.Cc1ccc(F)c(-c2cc(Nc3ccnc4cnn(CC(F)F)c34)ccn2)n1
InChIInChI=1S/2C19H15F3N6/c1-11-2-3-13(20)18(25-11)15-8-12(4-6-23-15)26-14-5-7-24-16-9-28(10-17(21)22)27-19(14)16;1-11-2-3-13(20)18(26-11)15-8-12(4-6-23-15)27-14-5-7-24-16-9-25-28(19(14)16)10-17(21)22/h2-9,17H,10H2,1H3,(H,23,26);2-9,17H,10H2,1H3,(H,23,24,27)
InChIKeyGWKOGGIROFMPOV-UHFFFAOYSA-N
MW768.73 g/mol
LogP8.69
Rot. Bonds10

About 1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine

1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 158386361) has the molecular formula C38H30F6N12 and a molecular weight of 768.73 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine
PubChem CID158386361
Molecular FormulaC38H30F6N12
Molecular Weight768.73 g/mol
Exact Mass768.26
IUPAC Name1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCc1ccc(F)c(-c2cc(Nc3ccnc4cn(CC(F)F)nc34)ccn2)n1.Cc1ccc(F)c(-c2cc(Nc3ccnc4cnn(CC(F)F)c34)ccn2)n1
InChIInChI=1S/2C19H15F3N6/c1-11-2-3-13(20)18(25-11)15-8-12(4-6-23-15)26-14-5-7-24-16-9-28(10-17(21)22)27-19(14)16;1-11-2-3-13(20)18(26-11)15-8-12(4-6-23-15)27-14-5-7-24-16-9-25-28(19(14)16)10-17(21)22/h2-9,17H,10H2,1H3,(H,23,26);2-9,17H,10H2,1H3,(H,23,24,27)
InChIKeyGWKOGGIROFMPOV-UHFFFAOYSA-N
XLogP8.69
TPSA137.04 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500768.73
LogP ≤ 58.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine (CID 158386361) is 1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine is Cc1ccc(F)c(-c2cc(Nc3ccnc4cn(CC(F)F)nc34)ccn2)n1.Cc1ccc(F)c(-c2cc(Nc3ccnc4cnn(CC(F)F)c34)ccn2)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is GWKOGGIROFMPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15F3N6/c1-11-2-3-13(20)18(25-11)15-8-12(4-6-23-15)26-14-5-7-24-16-9-28(10-17(21)22)27-19(14)16;1-11-2-3-13(20)18(26-11)15-8-12(4-6-23-15)27-14-5-7-24-16-9-25-28(19(14)16)10-17(21)22/h2-9,17H,10H2,1H3,(H,23,26);2-9,17H,10H2,1H3,(H,23,24,27).
What are the key properties of 1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine?
1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 768.73 g/mol, XLogP of 8.69, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine;2-(2,2-difluoroethyl)-N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 158386361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).